Sugi Predict

Sugi Predict / Compounds / SCHEMBL21491406

SCHEMBL21491406

SCHEMBL21491406

Cc1cc(N2CCCCCC2Br)nc(N)n1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CRHBP P24387 2/20 0.59
▸ CRHR2 Q13324 2/20 0.59
▸ SMN1; SMN2 Q16637 2/20 0.59
▸ HRH3 Q9Y5N1 4/20 0.47
▸ HRH4 Q9H3N8 4/20 0.46
▸ MAPT P10636 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ GFER P55789 1/20 0.42
▸ TSHR P16473 1/20 0.41
▸ NUDT1 P36639 2/20 0.39
▸ EHMT2 Q96KQ7 1/20 0.39
▸ PDPK1 O15530 1/20 0.38
▸ TGFBR1 P36897 1/20 0.38
▸ AURKB Q96GD4 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21491459 1.00 CRHBP (0.59) CRHBPCRHR2SMN1; SMN2HRH3HRH4
SCHEMBL21491405 1.00 CRHBP (0.59) CRHBPCRHR2SMN1; SMN2HRH3HRH4
SCHEMBL21516564 0.83 CRHBP (0.59) CRHBPCRHR2SMN1; SMN2HRH3HRH4
SCHEMBL29456355 0.83 CRHBP (0.59) CRHBPCRHR2SMN1; SMN2HRH3HRH4
SCHEMBL5791956 0.78 CRHBP (0.55) CRHBPCRHR2SMN1; SMN2HRH3HRH4
SCHEMBL21516330 0.78 CRHBP (0.52) CRHBPCRHR2SMN1; SMN2HRH3HRH4
SCHEMBL29456413 0.78 CRHBP (0.52) CRHBPCRHR2SMN1; SMN2HRH3HRH4
SCHEMBL29456571 0.78 CRHBP (0.52) CRHBPCRHR2SMN1; SMN2HRH3HRH4
SCHEMBL21516542 0.78 CRHBP (0.52) CRHBPCRHR2SMN1; SMN2HRH3HRH4
SCHEMBL21516990 0.77 CRHBP (0.51) CRHBPCRHR2SMN1; SMN2HRH3HRH4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4043460-B1 ANTIPROLIFERATION COMPOUNDS AND USES THEREOF MERCK PATENT GMBH (DE) 2024-06-05 — — EP disclosed
US-20230150993-A1 ANTIPROLIFERATION COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2023-05-18 — — US disclosed
EP-4043460-A1 ANTIPROLIFERATION COMPOUNDS AND USES THEREOF Merck Patent GmbH (DE) 2022-08-17 — — EP disclosed
EP-3784666-B1 ANTIPROLIFERATION COMPOUNDS AND USES THEREOF MERCK PATENT GMBH (DE) 2022-03-16 — — EP disclosed
CN-112236428-A Antiproliferative compounds and uses thereof 默克专利股份有限公司 2021-01-15 — — CN disclosed
US-10815225-B2 Antiproliferation compounds and uses thereof MERCK PATENT GMBH (DE) 2020-10-27 — — US disclosed
US-20190322658-A1 ANTIPROLIFERATION COMPOUNDS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-10-24 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20190322658-A1 ANTIPROLIFERATION COMPOUNDS AND USES THEREOF MKI67, MCL1, CCNI CRHBP 4181/4885CRHR2 4068/4885SMN1; SMN2 2714/4885
US-20230150993-A1 ANTIPROLIFERATION COMPOUNDS AND USES THEREOF MKI67, MCL1, CCNI CRHBP 4181/4885CRHR2 4068/4885SMN1; SMN2 2714/4885
US-10815225-B2 Antiproliferation compounds and uses thereof MKI67, MCL1, CCNI CRHBP 4181/4885CRHR2 4068/4885SMN1; SMN2 2714/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.